ELPH_PREPARE
ELPH_PREPARE = [logical]
Default: ELPH_PREPARE = .FALSE.
Description: Writes the potential, the force-constants and other information related to electron-phonon interactions to the vaspout.h5 file.
In order to calculate electron-phonon interactions, one must first perform finite-difference calculations in the supercell and generate the phelel_params.hdf5 file.
To do this using phelel, it is necessary to provide additional supercell information to phelel.
This is accomplished by setting ELPH_PREPARE = True
in each involved supercell calculation.
Afterwards, phelel can be used to calculate the required derivatives and produce the phelel_params.hdf5 file.
For further information on this workflow, please consult the online documentation of phelel.